2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide

C19H27N3O3 — CID 56787457

IUPAC2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN(Cc1ccccc1)CC1CCOCC1)NC(=O)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-18(21-19(24)20-17-6-7-17)14-22(12-15-4-2-1-3-5-15)13-16-8-10-25-11-9-16/h1-5,16-17H,6-14H2,(H2,20,21,23,24)
InChIKeyFOAQOJFOTZGUPH-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.90
Rot. Bonds7

About 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide

2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 56787457) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID56787457
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN(Cc1ccccc1)CC1CCOCC1)NC(=O)NC1CC1
InChIInChI=1S/C19H27N3O3/c23-18(21-19(24)20-17-6-7-17)14-22(12-15-4-2-1-3-5-15)13-16-8-10-25-11-9-16/h1-5,16-17H,6-14H2,(H2,20,21,23,24)
InChIKeyFOAQOJFOTZGUPH-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide (CID 56787457) is 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide is O=C(CN(Cc1ccccc1)CC1CCOCC1)NC(=O)NC1CC1.
What is the InChIKey of 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is FOAQOJFOTZGUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-19(24)20-17-6-7-17)14-22(12-15-4-2-1-3-5-15)13-16-8-10-25-11-9-16/h1-5,16-17H,6-14H2,(H2,20,21,23,24).
What are the key properties of 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 56787457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).